SCHEMBL7962992

SCHEMBL7962992

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCN)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.35
BRD4 O60885 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7568330 0.99 MEN1 (0.36) MEN1KMT2ARAB9ACNR2MAPT
SCHEMBL7478105 0.92 IRAK4 (0.37) MEN1KMT2ARAB9ACNR2MAPT
Hydrochloric Acid SCHEMBL7968769 0.91 IRAK4 (0.37) MEN1KMT2ARAB9ACNR2MAPT
SCHEMBL7964830 0.91 IRAK4 (0.37) MEN1KMT2ARAB9ACNR2MAPT
Hydrochloric Acid SCHEMBL7610476 0.91 IRAK4 (0.36) MEN1KMT2ARAB9ACNR2MAPT
SCHEMBL7480849 0.86 AVPR2 (0.35) MEN1KMT2ALMNAHDAC3BRD4
Hydrochloric Acid SCHEMBL7481449 0.86 AVPR2 (0.35) LMNAHDAC3BRD4HDAC4HDAC1
Dimethylamine SCHEMBL7972125 0.85 AVPR2 (0.35) MEN1KMT2ALMNAHDAC3BRD4
SCHEMBL7564594 0.85 RXFP1 (0.37) MEN1KMT2ARAB9AMAPTLMNA
Dimethylamine SCHEMBL7975691 0.85 AVPR2 (0.34) LMNAHDAC3BRD4HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed